CID 3078129

1-(butylamino)-3-((5a,6,7,8,9,9a-hexahydro-2-dibenzofuranyl)oxy)-2-propanol hydrochloride

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCCCNCC(COC1=CC2=C(C=C1)OC3C2CCCC3)O
InChI
InChI=1S/C19H29NO3/c1-2-3-10-20-12-14(21)13-22-15-8-9-19-17(11-15)16-6-4-5-7-18(16)23-19/h8-9,11,14,16,18,20-21H,2-7,10,12-13H2,1H3
InChIKey
MRGQKFMSXCFSBW-UHFFFAOYSA-N
Compound name
1-(5a,6,7,8,9,9a-hexahydrodibenzofuran-2-yloxy)-3-(butylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.222026 177.5
[M+Na]+ 342.203968 180.1
[M-H]- 318.207474 180.2
[M+NH4]+ 337.248573 193.1
[M+K]+ 358.177908 177.2
[M+H-H2O]+ 302.212010 170.6
[M+HCOO]- 364.212951 192.7
[M+CH3COO]- 378.228601 209.2
[M+Na-2H]- 340.189416 179.3
[M]+ 319.21420142 177.2
[M]- 319.21529858 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.